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Crystal structure of the fosfomycin resistance protein a (fosa) containing bound phosphonoformate
Analyse Crystal structure of the fosfomycin resistance protein a (fosa) containing… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1NKI
- Type
- protein
- Length
- 268 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 0.95
- Source
- Pseudomonas aeruginosa
- Molecule
- probable fosfomycin resistance protein
- EC
- 2.5.1.18
- UniProt
- Q9I4K6
- Ligands
- PPF, K, MN
- Pockets
- 3 · best druggability 0.58
Structure
x-ray diffraction · resolution 0.95 · 1 distinct chain · 25% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | probable fosfomycin resistance protein (EC 2.5.1.18) | protein | 134 | 25% helix, 38% strand | Q9I4K6 |
Ligands and binding sites
- PPF · Phosphonoformic acid · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 62 | 0.58 | 0.90 | 20 | empty |
| 2 | 141 | 0.55 | 0.81 | 22 | MN, PPF |
| 3 | 135 | 0.51 | 0.80 | 22 | PPF |
Interfaces
1 interface between chains.
- A–B · 2660 Ų buried · 51 hydrogen bonds · protein-protein
Compared structures
- 1NKI · Crystal structure of the fosfomycin resistance protein a (fosa) containing bound… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I4K6 · AlphaFold monomer V2.0 prediction for glutathione transferase fosa (Q9I4K6) · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9I4K6
- Elsewhere: RCSB PDB 1NKI · PDBe 1NKI · UniProt Q9I4K6
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